N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide

C29H29F3N4O3 — CID 66710575

IUPACN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CC(OCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C29H29F3N4O3/c30-22-4-1-19(2-5-22)18-39-26-16-36(17-26)29(38)21-3-6-27(33-14-21)28(37)34-25-7-9-35(10-8-25)15-20-11-23(31)13-24(32)12-20/h1-6,11-14,25-26H,7-10,15-18H2,(H,34,37)
InChIKeyJTXPMIJNGKYFRZ-UHFFFAOYSA-N
MW538.57 g/mol
LogP3.93
Rot. Bonds8

About N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710575) has the molecular formula C29H29F3N4O3 and a molecular weight of 538.57 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710575
Molecular FormulaC29H29F3N4O3
Molecular Weight538.57 g/mol
Exact Mass538.22
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CC(OCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C29H29F3N4O3/c30-22-4-1-19(2-5-22)18-39-26-16-36(17-26)29(38)21-3-6-27(33-14-21)28(37)34-25-7-9-35(10-8-25)15-20-11-23(31)13-24(32)12-20/h1-6,11-14,25-26H,7-10,15-18H2,(H,34,37)
InChIKeyJTXPMIJNGKYFRZ-UHFFFAOYSA-N
XLogP3.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenoxy)-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 46868943
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710344
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)nicotinamide
CID 66710857
N-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 72548436
N-[4-[(1R,3R,4R,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 91937592
N-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-yl}-ethyl)-nicotinamide
CID 44341929
N-[2-[3,6-difluoro-2-(5-methylpyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71451085
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 53251568
(R)-N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(3-(4-fluorophenoxy) pyrrolidine-1-carbonyl)picolinamide
CID 56652034
N-(4-benzyloxyphenyl)-5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)picolinamide
CID 56653409
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(4-(p-tolyloxy)piperidine-1-carbonyl)picolinamide
CID 58073179
(S)-N-(1-(4-fluorobenzyl)piperidin-4-yl)-5-(3-(4-fluorophenoxy) pyrrolidine-1-carbonyl)picolinamide
CID 58073186

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide (CID 66710575) is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide is O=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CC(OCc3ccc(F)cc3)C2)cn1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is JTXPMIJNGKYFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O3/c30-22-4-1-19(2-5-22)18-39-26-16-36(17-26)29(38)21-3-6-27(33-14-21)28(37)34-25-7-9-35(10-8-25)15-20-11-23(31)13-24(32)12-20/h1-6,11-14,25-26H,7-10,15-18H2,(H,34,37).
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide?
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 538.57 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-[(4-fluorophenyl)methoxy]azetidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).